(2-amino-5-nitrophenyl)-(3-methylmorpholin-4-yl)methanone

C12H15N3O4 — CID 62059334

IUPAC(2-amino-5-nitrophenyl)-(3-methylmorpholin-4-yl)methanone
SMILESCC1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C12H15N3O4/c1-8-7-19-5-4-14(8)12(16)10-6-9(15(17)18)2-3-11(10)13/h2-3,6,8H,4-5,7,13H2,1H3
InChIKeyIKFIGBAHVIGAQE-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.04
Rot. Bonds2

About (2-amino-5-nitrophenyl)-(3-methylmorpholin-4-yl)methanone

(2-amino-5-nitrophenyl)-(3-methylmorpholin-4-yl)methanone (PubChem CID 62059334) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is (2-amino-5-nitrophenyl)-(3-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-nitrophenyl)-(3-methylmorpholin-4-yl)methanone
PubChem CID62059334
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name(2-amino-5-nitrophenyl)-(3-methylmorpholin-4-yl)methanone
SMILESCC1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C12H15N3O4/c1-8-7-19-5-4-14(8)12(16)10-6-9(15(17)18)2-3-11(10)13/h2-3,6,8H,4-5,7,13H2,1H3
InChIKeyIKFIGBAHVIGAQE-UHFFFAOYSA-N
XLogP1.04
TPSA98.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2-fluoro-5-nitrobenzoyl)morpholine-3-carboxamide
CID 83097346
(2-amino-5-nitrophenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62968890
(2-amino-5-nitrophenyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104890954
(5-amino-2-methylphenyl)-(3-methylmorpholin-4-yl)methanone;hydrochloride
CID 120623273
(4-amino-2-chlorophenyl)-(3-methylmorpholin-4-yl)methanone
CID 43541599
(3-ethylmorpholin-4-yl)-[2-(methylamino)-5-nitrophenyl]methanone
CID 62169101
N'-hydroxy-2-(3-methylmorpholin-4-yl)-5-nitrobenzenecarboximidamide
CID 76935210
(2-bromo-4-methylphenyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832539
2-[(3S)-3-methylmorpholine-4-carbonyl]benzonitrile
CID 130179782
[5-amino-2-(dimethylamino)phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106773568
(2-amino-5-nitrophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 62930359
5-iodo-2-[(3R)-3-methylmorpholine-4-carbonyl]benzamide
CID 69149147

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-nitrophenyl)-(3-methylmorpholin-4-yl)methanone?
The IUPAC name of (2-amino-5-nitrophenyl)-(3-methylmorpholin-4-yl)methanone (CID 62059334) is (2-amino-5-nitrophenyl)-(3-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (2-amino-5-nitrophenyl)-(3-methylmorpholin-4-yl)methanone?
The canonical SMILES for (2-amino-5-nitrophenyl)-(3-methylmorpholin-4-yl)methanone is CC1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1N.
What is the InChIKey of (2-amino-5-nitrophenyl)-(3-methylmorpholin-4-yl)methanone?
The InChIKey is IKFIGBAHVIGAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-8-7-19-5-4-14(8)12(16)10-6-9(15(17)18)2-3-11(10)13/h2-3,6,8H,4-5,7,13H2,1H3.
What are the key properties of (2-amino-5-nitrophenyl)-(3-methylmorpholin-4-yl)methanone?
(2-amino-5-nitrophenyl)-(3-methylmorpholin-4-yl)methanone has a molecular weight of 265.27 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-nitrophenyl)-(3-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 62059334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).